Reaction Details | |||
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Target | ATP-dependent translocase ABCB1 | ||
Ligand | BDBM50489309 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_934786 (CHEMBL2318920) | ||
IC50 | 180±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
ATP-dependent translocase ABCB1 | |||
Name: | ATP-dependent translocase ABCB1 | ||
Synonyms: | ABCB1 | MDR1 | MDR1_HUMAN | Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | Multidrug resistance protein 1/Multidrug resistance associated protein 1 | P-glycoprotein (P-gp) | P-glycoprotein 1 | PGY1 | ||
Type: | Protein | ||
Mol. Mass.: | 141503.50 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P08183 | ||
Residue: | 1280 | ||
Sequence: |
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BDBM50489309 | |||
n/a | |||
Name | BDBM50489309 | ||
Synonyms: | CHEMBL2316435 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H45NO7 | ||
Mol. Mass. | 639.7771 | ||
SMILES | [H][C@]1(CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)C1c2ccccc2-c2ccccc12 |r,wU:26.27,29.34,1.0,wD:4.7,(16.52,-12.09,;16.53,-13.63,;16.53,-15.17,;15.2,-15.94,;13.87,-15.17,;13.87,-13.63,;15.2,-12.85,;12.54,-15.95,;11.21,-15.18,;11.2,-13.64,;9.87,-15.95,;8.54,-15.18,;7.2,-15.95,;5.87,-15.18,;4.54,-15.95,;3.2,-15.18,;3.2,-13.64,;4.54,-17.5,;3.2,-18.27,;1.86,-17.5,;5.88,-18.26,;5.89,-19.8,;4.56,-20.58,;7.21,-17.49,;17.87,-12.86,;17.88,-11.32,;19.2,-13.64,;19.19,-15.19,;20.51,-15.97,;21.86,-15.2,;21.86,-13.66,;20.53,-12.88,;23.19,-15.98,;24.53,-15.22,;24.54,-13.68,;25.81,-16.08,;27.25,-15.54,;27.81,-14.12,;29.33,-13.9,;30.28,-15.1,;29.71,-16.53,;28.2,-16.75,;27.35,-18.03,;27.73,-19.51,;26.64,-20.59,;25.15,-20.18,;24.77,-18.69,;25.87,-17.61,)| | ||
Structure | ![]() |